3-tert-butyl-3-azabicyclo[3.3.2]decane;3-tert-butyl-3-azabicyclo[4.3.1]decane;2-tert-butyl-2-azabicyclo[2.2.1]heptane;2-tert-butyl-2-azabicyclo[3.2.2]nonane;2-tert-butyl-2-azabicyclo[3.3.1]nonane;bis(2-tert-butyl-2-azabicyclo[2.2.2]octane);8-tert-butylbicyclo[3.2.1]octane

C94H179N7 — CID 160842456

IUPAC3-tert-butyl-3-azabicyclo[3.3.2]decane;3-tert-butyl-3-azabicyclo[4.3.1]decane;2-tert-butyl-2-azabicyclo[2.2.1]heptane;2-tert-butyl-2-azabicyclo[3.2.2]nonane;2-tert-butyl-2-azabicyclo[3.3.1]nonane;bis(2-tert-butyl-2-azabicyclo[2.2.2]octane);8-tert-butylbicyclo[3.2.1]octane
SMILESCC(C)(C)C1C2CCCC1CC2.CC(C)(C)N1CC2CCC1C2.CC(C)(C)N1CC2CCC1CC2.CC(C)(C)N1CC2CCC1CC2.CC(C)(C)N1CC2CCCC(CC2)C1.CC(C)(C)N1CCC2CCC1CC2.CC(C)(C)N1CCC2CCCC(C2)C1.CC(C)(C)N1CCC2CCCC1C2
InChIInChI=1S/2C13H25N.2C12H23N.C12H22.2C11H21N.C10H19N/c1-13(2,3)14-8-7-11-5-4-6-12(9-11)10-14;1-13(2,3)14-9-11-5-4-6-12(10-14)8-7-11;1-12(2,3)13-9-8-10-4-6-11(13)7-5-10;1-12(2,3)13-8-7-10-5-4-6-11(13)9-10;1-12(2,3)11-9-5-4-6-10(11)8-7-9;2*1-11(2,3)12-8-9-4-6-10(12)7-5-9;1-10(2,3)11-7-8-4-5-9(11)6-8/h2*11-12H,4-10H2,1-3H3;2*10-11H,4-9H2,1-3H3;9-11H,4-8H2,1-3H3;2*9-10H,4-8H2,1-3H3;8-9H,4-7H2,1-3H3
InChIKeySIEZOIBIMHBJKO-UHFFFAOYSA-N
MW1407.51 g/mol
LogP24.14
Rot. Bonds

About 3-tert-butyl-3-azabicyclo[3.3.2]decane;3-tert-butyl-3-azabicyclo[4.3.1]decane;2-tert-butyl-2-azabicyclo[2.2.1]heptane;2-tert-butyl-2-azabicyclo[3.2.2]nonane;2-tert-butyl-2-azabicyclo[3.3.1]nonane;bis(2-tert-butyl-2-azabicyclo[2.2.2]octane);8-tert-butylbicyclo[3.2.1]octane

3-tert-butyl-3-azabicyclo[3.3.2]decane;3-tert-butyl-3-azabicyclo[4.3.1]decane;2-tert-butyl-2-azabicyclo[2.2.1]heptane;2-tert-butyl-2-azabicyclo[3.2.2]nonane;2-tert-butyl-2-azabicyclo[3.3.1]nonane;bis(2-tert-butyl-2-azabicyclo[2.2.2]octane);8-tert-butylbicyclo[3.2.1]octane (PubChem CID 160842456) has the molecular formula C94H179N7 and a molecular weight of 1407.51 g/mol. Its IUPAC name is 3-tert-butyl-3-azabicyclo[3.3.2]decane;3-tert-butyl-3-azabicyclo[4.3.1]decane;2-tert-butyl-2-azabicyclo[2.2.1]heptane;2-tert-butyl-2-azabicyclo[3.2.2]nonane;2-tert-butyl-2-azabicyclo[3.3.1]nonane;bis(2-tert-butyl-2-azabicyclo[2.2.2]octane);8-tert-butylbicyclo[3.2.1]octane.

Molecular Properties

Compound Name3-tert-butyl-3-azabicyclo[3.3.2]decane;3-tert-butyl-3-azabicyclo[4.3.1]decane;2-tert-butyl-2-azabicyclo[2.2.1]heptane;2-tert-butyl-2-azabicyclo[3.2.2]nonane;2-tert-butyl-2-azabicyclo[3.3.1]nonane;bis(2-tert-butyl-2-azabicyclo[2.2.2]octane);8-tert-butylbicyclo[3.2.1]octane
PubChem CID160842456
Molecular FormulaC94H179N7
Molecular Weight1407.51 g/mol
Exact Mass1406.42
IUPAC Name3-tert-butyl-3-azabicyclo[3.3.2]decane;3-tert-butyl-3-azabicyclo[4.3.1]decane;2-tert-butyl-2-azabicyclo[2.2.1]heptane;2-tert-butyl-2-azabicyclo[3.2.2]nonane;2-tert-butyl-2-azabicyclo[3.3.1]nonane;bis(2-tert-butyl-2-azabicyclo[2.2.2]octane);8-tert-butylbicyclo[3.2.1]octane
SMILESCC(C)(C)C1C2CCCC1CC2.CC(C)(C)N1CC2CCC1C2.CC(C)(C)N1CC2CCC1CC2.CC(C)(C)N1CC2CCC1CC2.CC(C)(C)N1CC2CCCC(CC2)C1.CC(C)(C)N1CCC2CCC1CC2.CC(C)(C)N1CCC2CCCC(C2)C1.CC(C)(C)N1CCC2CCCC1C2
InChIInChI=1S/2C13H25N.2C12H23N.C12H22.2C11H21N.C10H19N/c1-13(2,3)14-8-7-11-5-4-6-12(9-11)10-14;1-13(2,3)14-9-11-5-4-6-12(10-14)8-7-11;1-12(2,3)13-9-8-10-4-6-11(13)7-5-10;1-12(2,3)13-8-7-10-5-4-6-11(13)9-10;1-12(2,3)11-9-5-4-6-10(11)8-7-9;2*1-11(2,3)12-8-9-4-6-10(12)7-5-9;1-10(2,3)11-7-8-4-5-9(11)6-8/h2*11-12H,4-10H2,1-3H3;2*10-11H,4-9H2,1-3H3;9-11H,4-8H2,1-3H3;2*9-10H,4-8H2,1-3H3;8-9H,4-7H2,1-3H3
InChIKeySIEZOIBIMHBJKO-UHFFFAOYSA-N
XLogP24.14
TPSA22.68 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms101
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001407.51
LogP ≤ 524.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-tert-butyl-3-azabicyclo[3.3.2]decane;3-tert-butyl-3-azabicyclo[4.3.1]decane;2-tert-butyl-2-azabicyclo[2.2.1]heptane;2-tert-butyl-2-azabicyclo[3.2.2]nonane;2-tert-butyl-2-azabicyclo[3.3.1]nonane;bis(2-tert-butyl-2-azabicyclo[2.2.2]octane);8-tert-butylbicyclo[3.2.1]octane with MolForge

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Related Compounds

3-Tert-butyl-3-azabicyclo[3.3.2]decane;3-tert-butyl-3-azabicyclo[4.3.1]decane;2-tert-butyl-2-azabicyclo[2.2.1]heptane;2-tert-butyl-2-azabicyclo[3.2.2]nonane;2-tert-butyl-2-azabicyclo[2.2.2]octane;8-tert-butyl-8-azabicyclo[3.2.1]octane;8-tert-butylbicyclo[3.2.1]octane;2-tert-butyl-9-methyl-2-azabicyclo[3.3.1]nonane
CID 157454225
3-Tert-butyl-3-azabicyclo[4.3.1]decane;2-tert-butyl-2-azabicyclo[2.2.1]heptane;2-tert-butyl-2-azabicyclo[3.2.2]nonane;8-tert-butylbicyclo[3.2.1]octane;3-propan-2-yl-3-azabicyclo[3.3.2]decane;2-propan-2-yl-2-azabicyclo[3.3.1]nonane;2-propan-2-yl-2-azabicyclo[2.2.2]octane;8-propan-2-yl-8-azabicyclo[3.2.1]octane
CID 157837301
3-Tert-butyl-3-azabicyclo[3.3.2]decane;3-tert-butyl-3-azabicyclo[4.3.1]decane;2-tert-butyl-2-azabicyclo[2.2.1]heptane;2-tert-butyl-2-azabicyclo[3.2.2]nonane;2-tert-butyl-2-azabicyclo[3.3.1]nonane;2-tert-butyl-2-azabicyclo[2.2.2]octane;8-tert-butyl-2-azabicyclo[3.2.1]octane;8-tert-butyl-8-azabicyclo[3.2.1]octane
CID 158090154
3-Tert-butyl-3-azabicyclo[3.3.2]decane;3-tert-butyl-3-azabicyclo[4.3.1]decane;2-tert-butyl-2-azabicyclo[2.2.1]heptane;2-tert-butyl-2-azabicyclo[3.3.1]nonane;2-tert-butyl-2-azabicyclo[2.2.2]octane;8-tert-butyl-8-azabicyclo[3.2.1]octane;8-tert-butylbicyclo[3.2.1]octane;2,4-ditert-butyl-2-azabicyclo[3.2.2]nonane
CID 158424385
3-Tert-butyl-3-azabicyclo[3.3.2]decane;2-tert-butyl-2-azabicyclo[2.2.1]heptane;2-tert-butyl-2-azabicyclo[3.3.1]nonane;2-tert-butyl-2-azabicyclo[2.2.2]octane;8-tert-butyl-8-azabicyclo[3.2.1]octane;8-tert-butylbicyclo[4.3.1]decane;8-tert-butylbicyclo[3.2.1]octane;2,4-ditert-butyl-2-azabicyclo[3.2.2]nonane
CID 158791969
3-Tert-butyl-3-azabicyclo[3.3.2]decane;3-tert-butyl-3-azabicyclo[4.3.1]decane;2-tert-butyl-2-azabicyclo[2.2.1]heptane;2-tert-butyl-2-azabicyclo[3.3.1]nonane;2-tert-butyl-2-azabicyclo[2.2.2]octane;8-tert-butyl-8-azabicyclo[3.2.1]octane;5-tert-butyl-5-azatricyclo[6.2.0.01,4]decane;8-tert-butylbicyclo[3.2.1]octane
CID 159140036
2-Tert-butyl-2-azabicyclo[3.3.2]decane;3-tert-butyl-3-azabicyclo[4.3.1]decane;2-tert-butyl-2-azabicyclo[2.2.1]heptane;2-tert-butyl-2-azabicyclo[2.2.2]octane;8-tert-butyl-8-azabicyclo[3.2.1]octane;2-tert-butyl-2-azabicyclo[4.4.1]undecane;8-tert-butylbicyclo[3.2.1]octane
CID 159226227
3-Tert-butyl-3-azabicyclo[3.3.2]decane;3-tert-butyl-3-azabicyclo[4.3.1]decane;2-tert-butyl-2-azabicyclo[2.2.1]heptane;2-tert-butyl-2-azabicyclo[3.3.1]nonane;2-tert-butyl-2-azabicyclo[2.2.2]octane;2-tert-butyl-2-azabicyclo[3.2.1]octane;8-tert-butyl-8-azabicyclo[3.2.1]octane;8-tert-butylbicyclo[3.2.1]octane
CID 160416891
Bis(3-tert-butyl-3-azabicyclo[3.3.2]decane);2-tert-butyl-2-azabicyclo[2.2.1]heptane;2-tert-butyl-2-azabicyclo[3.2.2]nonane;2-tert-butyl-2-azabicyclo[3.3.1]nonane;2-tert-butyl-2-azabicyclo[2.2.2]octane;5-tert-butyl-5-azatricyclo[6.3.0.01,3]undecane;bis(8-tert-butylbicyclo[3.2.1]octane)
CID 160424190
3-Tert-butyl-3-azabicyclo[3.3.2]decane;3-tert-butyl-3-azabicyclo[4.3.1]decane;2-tert-butyl-2-azabicyclo[2.2.1]heptane;2-tert-butyl-2-azabicyclo[3.2.2]nonane;2-tert-butyl-2-azabicyclo[3.3.1]nonane;2-tert-butyl-2-azabicyclo[2.2.2]octane;8-tert-butyl-8-azabicyclo[3.2.1]octane;5-tert-butyltricyclo[4.3.0.01,4]nonane
CID 160484382
Bis(3-tert-butyl-3-azabicyclo[3.3.2]decane);2-tert-butyl-2-azabicyclo[2.2.1]heptane;2-tert-butyl-2-azabicyclo[3.2.2]nonane;2-tert-butyl-2-azabicyclo[3.3.1]nonane;2-tert-butyl-2-azabicyclo[2.2.2]octane;8-tert-butyl-8-azabicyclo[3.2.1]octane;5-tert-butyl-5-azatricyclo[6.3.0.01,3]undecane;8-tert-butylbicyclo[3.2.1]octane
CID 161402175
3-Tert-butyl-3-azabicyclo[3.3.2]decane;2-tert-butyl-2-azabicyclo[2.2.1]heptane;2-tert-butyl-2-azabicyclo[3.2.2]nonane;2-tert-butyl-2-azabicyclo[3.3.1]nonane;2-tert-butyl-2-azabicyclo[2.2.2]octane;8-tert-butyl-8-azabicyclo[3.2.1]octane;3-tert-butyl-3-azabicyclo[4.4.1]undecane;8-tert-butylbicyclo[3.2.1]octane
CID 161722212

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-3-azabicyclo[3.3.2]decane;3-tert-butyl-3-azabicyclo[4.3.1]decane;2-tert-butyl-2-azabicyclo[2.2.1]heptane;2-tert-butyl-2-azabicyclo[3.2.2]nonane;2-tert-butyl-2-azabicyclo[3.3.1]nonane;bis(2-tert-butyl-2-azabicyclo[2.2.2]octane);8-tert-butylbicyclo[3.2.1]octane?
The IUPAC name of 3-tert-butyl-3-azabicyclo[3.3.2]decane;3-tert-butyl-3-azabicyclo[4.3.1]decane;2-tert-butyl-2-azabicyclo[2.2.1]heptane;2-tert-butyl-2-azabicyclo[3.2.2]nonane;2-tert-butyl-2-azabicyclo[3.3.1]nonane;bis(2-tert-butyl-2-azabicyclo[2.2.2]octane);8-tert-butylbicyclo[3.2.1]octane (CID 160842456) is 3-tert-butyl-3-azabicyclo[3.3.2]decane;3-tert-butyl-3-azabicyclo[4.3.1]decane;2-tert-butyl-2-azabicyclo[2.2.1]heptane;2-tert-butyl-2-azabicyclo[3.2.2]nonane;2-tert-butyl-2-azabicyclo[3.3.1]nonane;bis(2-tert-butyl-2-azabicyclo[2.2.2]octane);8-tert-butylbicyclo[3.2.1]octane.
What is the SMILES notation for 3-tert-butyl-3-azabicyclo[3.3.2]decane;3-tert-butyl-3-azabicyclo[4.3.1]decane;2-tert-butyl-2-azabicyclo[2.2.1]heptane;2-tert-butyl-2-azabicyclo[3.2.2]nonane;2-tert-butyl-2-azabicyclo[3.3.1]nonane;bis(2-tert-butyl-2-azabicyclo[2.2.2]octane);8-tert-butylbicyclo[3.2.1]octane?
The canonical SMILES for 3-tert-butyl-3-azabicyclo[3.3.2]decane;3-tert-butyl-3-azabicyclo[4.3.1]decane;2-tert-butyl-2-azabicyclo[2.2.1]heptane;2-tert-butyl-2-azabicyclo[3.2.2]nonane;2-tert-butyl-2-azabicyclo[3.3.1]nonane;bis(2-tert-butyl-2-azabicyclo[2.2.2]octane);8-tert-butylbicyclo[3.2.1]octane is CC(C)(C)C1C2CCCC1CC2.CC(C)(C)N1CC2CCC1C2.CC(C)(C)N1CC2CCC1CC2.CC(C)(C)N1CC2CCC1CC2.CC(C)(C)N1CC2CCCC(CC2)C1.CC(C)(C)N1CCC2CCC1CC2.CC(C)(C)N1CCC2CCCC(C2)C1.CC(C)(C)N1CCC2CCCC1C2.
What is the InChIKey of 3-tert-butyl-3-azabicyclo[3.3.2]decane;3-tert-butyl-3-azabicyclo[4.3.1]decane;2-tert-butyl-2-azabicyclo[2.2.1]heptane;2-tert-butyl-2-azabicyclo[3.2.2]nonane;2-tert-butyl-2-azabicyclo[3.3.1]nonane;bis(2-tert-butyl-2-azabicyclo[2.2.2]octane);8-tert-butylbicyclo[3.2.1]octane?
The InChIKey is SIEZOIBIMHBJKO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H25N.2C12H23N.C12H22.2C11H21N.C10H19N/c1-13(2,3)14-8-7-11-5-4-6-12(9-11)10-14;1-13(2,3)14-9-11-5-4-6-12(10-14)8-7-11;1-12(2,3)13-9-8-10-4-6-11(13)7-5-10;1-12(2,3)13-8-7-10-5-4-6-11(13)9-10;1-12(2,3)11-9-5-4-6-10(11)8-7-9;2*1-11(2,3)12-8-9-4-6-10(12)7-5-9;1-10(2,3)11-7-8-4-5-9(11)6-8/h2*11-12H,4-10H2,1-3H3;2*10-11H,4-9H2,1-3H3;9-11H,4-8H2,1-3H3;2*9-10H,4-8H2,1-3H3;8-9H,4-7H2,1-3H3.
What are the key properties of 3-tert-butyl-3-azabicyclo[3.3.2]decane;3-tert-butyl-3-azabicyclo[4.3.1]decane;2-tert-butyl-2-azabicyclo[2.2.1]heptane;2-tert-butyl-2-azabicyclo[3.2.2]nonane;2-tert-butyl-2-azabicyclo[3.3.1]nonane;bis(2-tert-butyl-2-azabicyclo[2.2.2]octane);8-tert-butylbicyclo[3.2.1]octane?
3-tert-butyl-3-azabicyclo[3.3.2]decane;3-tert-butyl-3-azabicyclo[4.3.1]decane;2-tert-butyl-2-azabicyclo[2.2.1]heptane;2-tert-butyl-2-azabicyclo[3.2.2]nonane;2-tert-butyl-2-azabicyclo[3.3.1]nonane;bis(2-tert-butyl-2-azabicyclo[2.2.2]octane);8-tert-butylbicyclo[3.2.1]octane has a molecular weight of 1407.51 g/mol, XLogP of 24.14, 0 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-3-azabicyclo[3.3.2]decane;3-tert-butyl-3-azabicyclo[4.3.1]decane;2-tert-butyl-2-azabicyclo[2.2.1]heptane;2-tert-butyl-2-azabicyclo[3.2.2]nonane;2-tert-butyl-2-azabicyclo[3.3.1]nonane;bis(2-tert-butyl-2-azabicyclo[2.2.2]octane);8-tert-butylbicyclo[3.2.1]octane is sourced from PubChem (CID 160842456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).